N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide

C15H18FNO3S — CID 107651966

IUPACN-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(C#CCO)c(F)c1)C1CC1
InChIInChI=1S/C15H18FNO3S/c1-11(12-4-5-12)10-17-21(19,20)14-7-6-13(3-2-8-18)15(16)9-14/h6-7,9,11-12,17-18H,4-5,8,10H2,1H3
InChIKeyJQXHMSKUKYLIHF-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.49
Rot. Bonds5

About N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide

N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide (PubChem CID 107651966) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
PubChem CID107651966
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC NameN-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(C#CCO)c(F)c1)C1CC1
InChIInChI=1S/C15H18FNO3S/c1-11(12-4-5-12)10-17-21(19,20)14-7-6-13(3-2-8-18)15(16)9-14/h6-7,9,11-12,17-18H,4-5,8,10H2,1H3
InChIKeyJQXHMSKUKYLIHF-UHFFFAOYSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzenesulfonamide
CID 107651261
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 107650446
5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
CID 115591315
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650554
N-(2,2-dimethylcyclopropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 107651141
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 107651964
N-[2-[[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]ethyl]acetamide
CID 107650672
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pyridin-4-ylbenzenesulfonamide
CID 107650477
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 107651957
5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
CID 115591314
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 107651530
N,N-diethyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 107650437

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The IUPAC name of N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide (CID 107651966) is N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(C#CCO)c(F)c1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The InChIKey is JQXHMSKUKYLIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c1-11(12-4-5-12)10-17-21(19,20)14-7-6-13(3-2-8-18)15(16)9-14/h6-7,9,11-12,17-18H,4-5,8,10H2,1H3.
What are the key properties of N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 107651966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).